tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)

C96H160B4F4N8O8 — CID 173137331

IUPACtetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
SMILESC=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C12H20N.4BFO2/c8*1-5-9-13(10-6-2,11-7-3)12-8-4;4*2-1(3)4/h8*5-8H,1-4,9-12H2;;;;/q8*+1;4*-2
InChIKeyNIAYLHMOLNBHHK-UHFFFAOYSA-N
MW1673.62 g/mol
LogP11.02
Rot. Bonds64

About tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)

tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) (PubChem CID 173137331) has the molecular formula C96H160B4F4N8O8 and a molecular weight of 1673.62 g/mol. Its IUPAC name is tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium).

Molecular Properties

Compound Nametetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
PubChem CID173137331
Molecular FormulaC96H160B4F4N8O8
Molecular Weight1673.62 g/mol
Exact Mass1673.27
IUPAC Nametetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)
SMILESC=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C12H20N.4BFO2/c8*1-5-9-13(10-6-2,11-7-3)12-8-4;4*2-1(3)4/h8*5-8H,1-4,9-12H2;;;;/q8*+1;4*-2
InChIKeyNIAYLHMOLNBHHK-UHFFFAOYSA-N
XLogP11.02
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds64
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001673.62
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
oxido(trioxo)rhenium;tetrakis(prop-2-enyl)azanium
CID 174712205
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium dichloride
CID 139884686
tris(prop-2-enyl)-[2-[tris(prop-2-enyl)azaniumyl]ethyl]azanium bromide
CID 54599335
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
CID 174867425

Frequently Asked Questions

What is the IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)?
The IUPAC name of tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) (CID 173137331) is tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium).
What is the SMILES notation for tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)?
The canonical SMILES for tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) is C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.C=CC[N+](CC=C)(CC=C)CC=C.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)?
The InChIKey is NIAYLHMOLNBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/8C12H20N.4BFO2/c8*1-5-9-13(10-6-2,11-7-3)12-8-4;4*2-1(3)4/h8*5-8H,1-4,9-12H2;;;;/q8*+1;4*-2.
What are the key properties of tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium)?
tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) has a molecular weight of 1673.62 g/mol, XLogP of 11.02, 64 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(fluoro(dioxido)borane);octakis(tetrakis(prop-2-enyl)azanium) is sourced from PubChem (CID 173137331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).